6'-amino-2-oxo-3'-pyridin-4-ylspiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile

C19H16N6O2 — CID 78213704

IUPAC6'-amino-2-oxo-3'-pyridin-4-ylspiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
SMILESN#CC1=C(N)OC2NNC(c3ccncc3)C2C12C(=O)Nc1ccccc12
InChIInChI=1S/C19H16N6O2/c20-9-12-16(21)27-17-14(15(24-25-17)10-5-7-22-8-6-10)19(12)11-3-1-2-4-13(11)23-18(19)26/h1-8,14-15,17,24-25H,21H2,(H,23,26)
InChIKeyRAVRNNUPUJWIOR-UHFFFAOYSA-N
MW360.38 g/mol
LogP0.79
Rot. Bonds1

About 6'-amino-2-oxo-3'-pyridin-4-ylspiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile

6'-amino-2-oxo-3'-pyridin-4-ylspiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile (PubChem CID 78213704) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 6'-amino-2-oxo-3'-pyridin-4-ylspiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile.

Molecular Properties

Compound Name6'-amino-2-oxo-3'-pyridin-4-ylspiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
PubChem CID78213704
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name6'-amino-2-oxo-3'-pyridin-4-ylspiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
SMILESN#CC1=C(N)OC2NNC(c3ccncc3)C2C12C(=O)Nc1ccccc12
InChIInChI=1S/C19H16N6O2/c20-9-12-16(21)27-17-14(15(24-25-17)10-5-7-22-8-6-10)19(12)11-3-1-2-4-13(11)23-18(19)26/h1-8,14-15,17,24-25H,21H2,(H,23,26)
InChIKeyRAVRNNUPUJWIOR-UHFFFAOYSA-N
XLogP0.79
TPSA125.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6'-amino-2-oxo-3'-pyridin-4-ylspiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile with MolForge

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Related Compounds

6-amino-3-(4-methoxyphenyl)spiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,9'-fluorene]-5-carbonitrile
CID 78353613
6-amino-1'-ethyl-3-(4-fluorophenyl)-2'-oxospiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 78213695
2-[6-amino-3-(4-chlorophenyl)-5-cyano-2'-oxospiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-1'-yl]acetic acid
CID 74580259
6'-amino-3'-butyl-5-fluoro-2-oxospiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
CID 53449148
6-amino-1'-benzyl-2'-oxo-3-propylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 53447587
2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-4a,6-dihydro-1H-quinoline]-3'-carbonitrile
CID 3460786
(3R)-2'-amino-7'-methyl-2,5'-dioxo-6'-(pyridin-3-ylmethyl)spiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
CID 40714268
(3S)-6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
CID 1036077
4-amino-3-[2-(4-amino-2-benzylimino-5-cyano-2'-oxospiro[1,3-thiazine-6,3'-1H-indole]-3-yl)ethyl]-2-benzylimino-2'-oxospiro[1,3-thiazine-6,3'-1H-indole]-5-carbonitrile
CID 139234623
6'-amino-2-oxo-1',3'-diphenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
CID 15094138
(4S)-6-amino-4-[3-(hydroxymethyl)-5-phenylphenyl]-3-methyl-4-propan-2-yl-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-5-carbonitrile
CID 172652514
(5S)-7-amino-4-oxo-5-pyridin-4-yl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
CID 729848

Frequently Asked Questions

What is the IUPAC name of 6'-amino-2-oxo-3'-pyridin-4-ylspiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
The IUPAC name of 6'-amino-2-oxo-3'-pyridin-4-ylspiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile (CID 78213704) is 6'-amino-2-oxo-3'-pyridin-4-ylspiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile.
What is the SMILES notation for 6'-amino-2-oxo-3'-pyridin-4-ylspiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
The canonical SMILES for 6'-amino-2-oxo-3'-pyridin-4-ylspiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile is N#CC1=C(N)OC2NNC(c3ccncc3)C2C12C(=O)Nc1ccccc12.
What is the InChIKey of 6'-amino-2-oxo-3'-pyridin-4-ylspiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
The InChIKey is RAVRNNUPUJWIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c20-9-12-16(21)27-17-14(15(24-25-17)10-5-7-22-8-6-10)19(12)11-3-1-2-4-13(11)23-18(19)26/h1-8,14-15,17,24-25H,21H2,(H,23,26).
What are the key properties of 6'-amino-2-oxo-3'-pyridin-4-ylspiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
6'-amino-2-oxo-3'-pyridin-4-ylspiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile has a molecular weight of 360.38 g/mol, XLogP of 0.79, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-amino-2-oxo-3'-pyridin-4-ylspiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile is sourced from PubChem (CID 78213704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).